SCHEMBL4040770

SCHEMBL4040770

CC(C)CC(N)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.48
CTSS P25774 3/20 0.43
CTSL P07711 2/20 0.43
DPP4 P27487 3/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SNRNP200 O75643 5/20 0.37
HRH1 P35367 1/20 0.36
SLC6A15 Q9H2J7 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4043002 0.89 CTSK (0.45) CTSKCTSSCTSLDPP4DPP9
SCHEMBL4044474 0.89 CTSK (0.42) CTSKCTSSCTSLDPP4L3MBTL1
SCHEMBL4041496 0.88 CTSK (0.40) CTSKCTSSCTSLDPP4DPP9
SCHEMBL4040016 0.86 EPHX2 (0.39) CTSKCTSSCTSLDPP4L3MBTL1
SCHEMBL4048184 0.85 DPP4 (0.50) DPP4DPP8DPP9DPP7
SCHEMBL4048380 0.85 CTSK (0.64) CTSKCTSSDPP4DPP8DPP9
SCHEMBL5941514 0.85 CTSK (0.64) CTSKCTSSDPP4DPP8DPP9
SCHEMBL4043363 0.85 DPP4 (0.46) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4045588 0.84 DPP4 (0.44) CTSKDPP4DPP8DPP9DPP7
SCHEMBL4042769 0.83 DPP4 (0.42) CTSKCTSSCTSLDPP4DPP8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSS 3/4885CTSL 57/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.